% Copyright (C) 2001, James B. Rawlings and John G. Ekerdt%% This program is free software; you can redistribute it and/or% modify it under the terms of the GNU General Public License as% published by the Free Software Foundation; either version 2, or (at% your option) any later version.%% This program is distributed in the hope that it will be useful, but% WITHOUT ANY WARRANTY; without even the implied warranty of% MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU% General Public License for more details.%% You should have received a copy of the GNU General Public License% along with this program; see the file COPYING. If not, write to% the Free Software Foundation, 59 Temple Place - Suite 330, Boston,% MA 02111-1307, USA.%% This program solves the ethane pyrolysis text example with NO% inhibitions and generates the figure Ethane NO2.%% It was last edited 1/2/2002%globalkPR1T%E in Joules, mass in grams, T in Kelvin, time in sec, volume in cm3Components_1=[' C2H6 = 1,',' NO = 2,',' C2H5 = 3,',' HNO = 4'];Components_2=[' H = 5,',' C2H4 = 6,',' H2 = 7,'];Ao=[1e14,3e14,3.4e12,1e12,1e13,1e12]';Ea=[217600,165300,28500,0,200800,0]';nu=[-1,-1,1,1,0,0,00,0,-1,0,1,1,0-1,0,1,0,-1,0,10,-1,0,1,-1,0,00,1,0,-1,1,0,01,1,-1,-1,0,0,0];R=8.3144;%(J/gmole-K)R1=82.057;%cc-atm/gmole-KP=1.0;% atmT=1000;%KEXP=exp(-Ea/(R*T));k=Ao.*EXP;y1f=0.95;y2f=0.05;C1f=y1f*P/(R1*T);%gmole/cm3C2f=y2f*P/(R1*T);%gmole/cm3Qf=600.0;%cc/secN1f=C1f*Qf;%gmole/secN2f=C2f*Qf;Initial=[N1f,N2f,0,0,0,0,0]';v=linspace(0,1500,200)';opts=odeset('AbsTol',sqrt(eps),'RelTol',sqrt(eps));[tsolver,solution1]=ode15s(@rxrate,v,Initial,opts);T=1050;EXP=exp(-Ea/(R*T));k=Ao.*EXP;y1f=0.95;y2f=0.05;C1f=y1f*P/(R1*T);%gmole/cm3C2f=y2f*P/(R1*T);%gmole/cm3Qf=600.0;%cc/secN1f=C1f*Qf;%gmole/secN2f=C2f*Qf;Initial=[N1f,N2f,0,0,0,0,0]';opts=odeset('AbsTol',sqrt(eps),'RelTol',sqrt(eps));[tsolver,solution2]=ode15s(@rxrate,v,Initial,opts);T=1100;EXP=exp(-Ea/(R*T));k=Ao.*EXP;y1f=0.95;y2f=0.05;C1f=y1f*P/(R1*T);%gmole/cm3C2f=y2f*P/(R1*T);%gmole/cm3Qf=600.0;%cc/secN1f=C1f*Qf;%gmole/secN2f=C2f*Qf;Initial=[N1f,N2f,0,0,0,0,0]';opts=odeset('AbsTol',sqrt(eps),'RelTol',sqrt(eps));[tsolver,solution3]=ode15s(@rxrate,v,Initial,opts);answer=[vsolution1(:,1)solution2(:,1)solution3(:,1)];save-asciiethane_NO_2.datanswer;%Components_1 = [' C2H6 = 1,',' NO = 2,',' C2H5 = 3,',' HNO = 4'];%Components_2 = [' H = 5,',' C2H4 = 6,', ' H2 = 7,'];if(~strcmp(getenv('OMIT_PLOTS'),'true'))% PLOTTINGplot(answer(:,1),[answer(:,2:4)])% TITLEend% PLOTTING